N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide

C24H24FN5O3S — CID 87339225

IUPACN-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide
SMILESCOc1cccc(C(=O)NC[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)c2nc(N)sc2-c2cccc(F)c2)n1
InChIInChI=1S/C24H24FN5O3S/c1-33-19-7-3-6-17(28-19)22(31)27-12-18-13-8-9-16(11-13)30(18)23(32)20-21(34-24(26)29-20)14-4-2-5-15(25)10-14/h2-7,10,13,16,18H,8-9,11-12H2,1H3,(H2,26,29)(H,27,31)/t13-,16+,18+/m0/s1
InChIKeyKLRPWDKZGCZJNU-FDQGKXFDSA-N
MW481.55 g/mol
LogP3.36
Rot. Bonds6

About N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide

N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide (PubChem CID 87339225) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide
PubChem CID87339225
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC NameN-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide
SMILESCOc1cccc(C(=O)NC[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)c2nc(N)sc2-c2cccc(F)c2)n1
InChIInChI=1S/C24H24FN5O3S/c1-33-19-7-3-6-17(28-19)22(31)27-12-18-13-8-9-16(11-13)30(18)23(32)20-21(34-24(26)29-20)14-4-2-5-15(25)10-14/h2-7,10,13,16,18H,8-9,11-12H2,1H3,(H2,26,29)(H,27,31)/t13-,16+,18+/m0/s1
InChIKeyKLRPWDKZGCZJNU-FDQGKXFDSA-N
XLogP3.36
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide with MolForge

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Related Compounds

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CID 68228154
CID 68228154
CID 86653668
CID 86653668
CID 87261084
CID 87261084
CID 87524068
CID 87524068
CID 130341857
CID 130341857
CID 130341872
CID 130341872
CID 130342261
CID 130342261
CID 130342265
CID 130342265

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide?
The IUPAC name of N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide (CID 87339225) is N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide is COc1cccc(C(=O)NC[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)c2nc(N)sc2-c2cccc(F)c2)n1.
What is the InChIKey of N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide?
The InChIKey is KLRPWDKZGCZJNU-FDQGKXFDSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-33-19-7-3-6-17(28-19)22(31)27-12-18-13-8-9-16(11-13)30(18)23(32)20-21(34-24(26)29-20)14-4-2-5-15(25)10-14/h2-7,10,13,16,18H,8-9,11-12H2,1H3,(H2,26,29)(H,27,31)/t13-,16+,18+/m0/s1.
What are the key properties of N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide?
N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3S,4S)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methoxypyridine-2-carboxamide is sourced from PubChem (CID 87339225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).